336,710 research outputs found
Local molecular field theory for effective attractions between like charged objects in systems with strong Coulomb interactions
Strong short ranged positional correlations involving counterions can induce
a net attractive force between negatively charged strands of DNA, and lead to
the formation of ion pairs in dilute ionic solutions. But the long range of the
Coulomb interactions impedes the development of a simple local picture. We
address this general problem by mapping the properties of a nonuniform system
with Coulomb interactions onto those of a simpler system with short ranged
intermolecular interactions in an effective external field that accounts for
the averaged effects of appropriately chosen long ranged and slowly varying
components of the Coulomb interactions. The remaining short ranged components
combine with the other molecular core interactions and strongly affect pair
correlations in dense or strongly coupled systems. We show that pair
correlation functions in the effective short ranged system closely resemble
those in the uniform primitive model of ionic solutions, and illustrate the
formation of ion pairs and clusters at low densities. The theory accurately
describes detailed features of the effective attraction between two equally
charged walls at strong coupling and intermediate separations of the walls. New
analytical results for the minimal coupling strength needed to get any
attraction and for the separation where the attractive force is a maximum are
presented.Comment: 8 pages, 5 figures. To be published in PNA
Classical Trajectory Perspective on Double Ionization Dynamics of Diatomic Molecules Irradiated by Ultrashort Intense Laser Pulses
In the present paper, we develop a semiclassical quasi-static model
accounting for molecular double ionization in an intense laser pulse. With this
model, we achieve insight into the dynamics of two highly-correlated valence
electrons under the combined influence of a two-center Coulomb potential and an
intense laser field, and reveal the significant influence of molecular
alignment on the ratio of double over single ion yield. Analysis on the
classical trajectories unveils sub-cycle dynamics of the molecular double
ionization. Many interesting features, such as the accumulation of emitted
electrons in the first and third quadrants of parallel momentum plane, the
regular pattern of correlated momentum with respect to the time delay between
closest collision and ionization moment, are revealed and successfully
explained by back analyzing the classical trajectories. Quantitative agreement
with experimental data over a wide range of laser intensities from tunneling to
over-the-barrier regime is presented.Comment: 8 pages, 9 figure
Ground state energy of unitary fermion gas with the Thomson Problem approach
The dimensionless universal coefficient defines the ratio of the
unitary fermions energy density to that for the ideal non-interacting ones in
the non-relativistic limit with T=0. The classical Thomson Problem is taken as
a nonperturbative quantum many-body arm to address the ground state energy
including the low energy nonlinear quantum fluctuation/correlation effects.
With the relativistic Dirac continuum field theory formalism, the concise
expression for the energy density functional of the strongly interacting limit
fermions at both finite temperature and density is obtained. Analytically, the
universal factor is calculated to be . The energy gap is
\Delta=\frac{{5}{18}{k_f^2}/(2m).Comment: Identical to published version with revisions according to comment
Ab Initio Simulation of the Nodal Surfaces of Heisenberg Antiferromagnets
The spin-half Heisenberg antiferromagnet (HAF) on the square and triangular
lattices is studied using the coupled cluster method (CCM) technique of quantum
many-body theory. The phase relations between different expansion coefficients
of the ground-state wave function in an Ising basis for the square lattice HAF
is exactly known via the Marshall-Peierls sign rule, although no equivalent
sign rule has yet been obtained for the triangular lattice HAF. Here the CCM is
used to give accurate estimates for the Ising-expansion coefficients for these
systems, and CCM results are noted to be fully consistent with the
Marshall-Peierls sign rule for the square lattice case. For the triangular
lattice HAF, a heuristic rule is presented which fits our CCM results for the
Ising-expansion coefficients of states which correspond to two-body excitations
with respect to the reference state. It is also seen that Ising-expansion
coefficients which describe localised, -body excitations with respect to the
reference state are found to be highly converged, and from this result we infer
that the nodal surface of the triangular lattice HAF is being accurately
modeled. Using these results, we are able to make suggestions regarding
possible extensions of existing quantum Monte Carlo simulations for the
triangular lattice HAF.Comment: 24 pages, Latex, 3 postscript figure
An extremal effective survey about extremal effective cycles in moduli spaces of curves
We survey recent developments and open problems about extremal effective
divisors and higher codimension cycles in moduli spaces of curves.Comment: Submitted to the Proceedings of the Abel Symposium 2017. Comments are
welcom
Selecting between two transition states by which water oxidation intermediates on an oxide surface decay
While catalytic mechanisms on electrode surfaces have been proposed for
decades, the pathways by which the product's chemical bonds evolve from the
initial charge-trapping intermediates have not been resolved in time. Here, we
discover a reactive population of charge-trapping intermediates with states in
the middle of a semiconductor's band-gap to reveal the dynamics of two parallel
transition state pathways for their decay. Upon photo-triggering the water
oxidation reaction from the n-SrTiO3 surface with band-gap, pulsed excitation,
the intermediates' microsecond decay reflects transition state theory (TST)
through: (1) two distinct and reaction dependent (pH, T, Ionic Strength, and
H/D exchange) time constants, (2) a primary kinetic salt effect on each
activation barrier and an H/D kinetic isotope effect on one, and (3) realistic
activation barrier heights (0.4 - 0.5 eV) and TST pre-factors (10^11 - 10^12
Hz). A photoluminescence from midgap states in n-SrTiO3 reveals the reaction
dependent decay; the same spectrum was previously assigned by us to
hole-trapping at parallel Ti-O(dot)-Ti (bridge) and perpendicular Ti-O(dot)
(oxyl) O-sites using in situ ultrafast vibrational and optical spectroscopy.
Therefore, the two transition states are naturally associated with the decay of
these respective intermediates. Furthermore, we show that reaction conditions
select between the two pathways, one of which reflects a labile intermediate
facing the electrolyte (the oxyl) and the other a lattice oxygen (the bridge).
Altogether, we experimentally isolate an important activation barrier for water
oxidation, which is necessary for designing water oxidation catalysts with high
O2 turn over. Moreover, in isolating it, we identify competing mechanisms for
O2 evolution at surfaces and show how to use reaction conditions to select
between them
Business integration models in the context of web services.
E-commerce development and applications have
been bringing the Internet to business and marketing
and reforming our current business styles and
processes. The rapid development of the Web, in
particular, the introduction of the semantic web and
web service technologies, enables business
processes, modeling and management to enter an
entirely new stage. Traditional web based business
data and transactions can now be analyzed,
extracted and modeled to discover new business
rules and to form new business strategies, let alone
mining the business data in order to classify
customers or products. In this paper, we investigate
and analyze the business integration models in the
context of web services using a micro-payment
system because a micro-payment system is
considered to be a service intensive activity, where
many payment tasks involve different forms of
services, such as payment method selection for
buyers, security support software, product price
comparison, etc. We will use the micro-payment case
to discuss and illustrate how the web services
approaches support and transform the business
process and integration model.
Complex Dynamics of Correlated Electrons in Molecular Double Ionization by an Ultrashort Intense Laser Pulse
With a semiclassical quasi-static model we achieve an insight into the
complex dynamics of two correlated electrons under the combined influence of a
two-center Coulomb potential and an intense laser field. The model calculation
is able to reproduce experimental data of nitrogen molecules for a wide range
of laser intensities from tunnelling to over-the-barrier regime, and predicts a
significant alignment effect on the ratio of double over single ion yield. The
classical trajectory analysis allows to unveil sub-cycle molecular double
ionization dynamics.Comment: 5 pages, 5 figures. to appear in Phys. Rev. Lett.(2007
- …